Enter a species (e.g. Al, Fe): Ba Enter a hexagonal lattice type (e.g. hcp): hcp Enter a model name: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Ba__MO_143487634619_003 Enter hexagonal lattice constants 'a' and 'c' (m): 4.550386209228604e-10, 7.394245155718234e-10 Calculating isothermal bulk modulus Optimization terminated successfully. Current function value: -3.244551 Iterations: 71 Function evaluations: 186 Finished calculation C11 = 19.040410783011602 GPa C12 = 4.773494868420025 GPa B = 9.529133506617217 GPa